PDB entry 4rw4

View 4rw4 on RCSB PDB site
Description: Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
Class: Hydrolase/hydrolase Inhibitor
Keywords: polymerase, transferase, hydrolase, RnaseH, Hydrolase-hydrolase Inhibitor complex
Deposited on 2014-12-01, released 2015-04-29
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-04-29, with a file datestamp of 2015-04-24.
Experiment type: XRAY
Resolution: 2.67 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Reverse transcriptase/ribonuclease H, p66 subunit
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (2-End)
      • expression tag (0-1)
      • engineered mutation (104)
      • engineered mutation (173-174)
      • engineered mutation (182)
      • engineered mutation (281)
    Domains in SCOPe 2.08: d4rw4a1, d4rw4a2, d4rw4a3
  • Chain 'B':
    Compound: Reverse transcriptase/ribonuclease H, p51 subunit
    Species: Human immunodeficiency virus type 1 BH10 [TaxId:11678]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03366 (Start-427)
      • engineered mutation (279)
    Domains in SCOPe 2.08: d4rw4b_
  • Heterogens: 494, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4rw4A (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkknksvtvldvgdayfsv
pldedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdi
vicqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdk
wtvqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkaltevipltee
aelelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmr
gahtndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvn
tpplvklwyqlekepivgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqkte
lqaiylalqdsglevnivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpa
hkgiggneqvdklvsag

    Sequence, based on observed residues (ATOM records): (download) 
    >4rw4A (A:)
mvpispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpynt
pvfaiwrklvdfrelnkrtqdfwgiphpaglkknksvtvldvgdayfsvpldedfrkyta
ftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfaaqnpdivicqymddlyv
gsdleigqhrtkieelrqhllrwglttpkeppflwmgyelhpdkwtvqpivlpekdswtv
ndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeaelelaenreilkepv
hgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteavqk
ittesiviwgktpkfklpiqketwetwwteywqatwipewefvntpplvklwyqlekepi
vgaetfyvdgaanretklgkagyvtnkgrqkvvpltnttnqktelqaiylalqdsglevn
ivtdsqyalgiiqaqpdkseselvnqiieqlikkekvylawvpahkgiggneqvdklv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4rw4B (B:)
pispietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpv
faikkkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpl
dedfrkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdivi
yqymddlyvgsdleigqhrtkieelrqhllrwglttpdkkhqkeppflwmgyelhpdkwt
vqpivlpekdswtvndiqklvgklnwasqiypgikvrqlskllrgtkalteviplteeae
lelaenreilkepvhgvyydpskdliaeiqkqgqgqwtyqiyqepfknlktgkyarmrga
htndvkqlteavqkittesiviwgktpkfklpiqketwetwwteywqatwipewefvntp
plvklwyq

    Sequence, based on observed residues (ATOM records): (download) 
    >4rw4B (B:)
ietvpvklkpgmdgpkvkqwplteekikalveictemekegkiskigpenpyntpvfaik
kkdstkwrklvdfrelnkrtqdfwevqlgiphpaglkkkksvtvldvgdayfsvpldedf
rkytaftipsinnetpgiryqynvlpqgwkgspaifqssmtkilepfkkqnpdiviyqym
ddlyvgsdleigqhrtkieelrqhllrwyelhpdkwtvqpivlpekdswtvndiqklvgk
lnwasqiypgikvrqlskllrgtkalteviplteeaelelaenreilkepvhgvyydpsk
dliaeiqkqgqgqwtyqiyqepfknlktgkyarmrgahtndvkqlteavqkittesiviw
gktpkfklpiqketwetwwteywqatwipewefvntpplvklwyq